1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]azepane

Systemtic Name: 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]azepane Openeye Name: 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]azepane CAS Name: 1-[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]azepane IUPAC Name: 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]azepane Traditional Name: 1-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]azepane Formula: C20H25ClN6O2 MolecularWeight: 416.9045

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H25ClN6O2/c21-16-6-5-7-17(14-16)24-10-12-26(13-11-24)20-18(27(28)29)19(22-15-23-20)25-8-3-1-2-4-9-25/h5-7,14-15H,1-4,8-13H2